SCHEMBL22822306

SCHEMBL22822306

CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(NC(=O)NCCOCCO)CC[C@]3(C)CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PRDX1 Q06830 18/20 1.00
▸ TERT O14746 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18781883 0.88 PRDX1 (0.83) PRDX1
SCHEMBL22822305 0.84 PRDX1 (1.00) PRDX1
SCHEMBL18781890 0.83 PRDX1 (0.80) PRDX1TERT
SCHEMBL18781882 0.83 PRDX1 (0.76) PRDX1TERT
SCHEMBL22822296 0.82 PRDX1 (1.00) PRDX1TERT
SCHEMBL22822454 0.81 PRDX1 (1.00) PRDX1
SCHEMBL22822210 0.80 PRDX1 (1.00) PRDX1
SCHEMBL22822453 0.80 PRDX1 (1.00) PRDX1
SCHEMBL25512294 0.80 NR4A1 (0.73) PRDX1TERT
SCHEMBL24927429 0.80 TERT (1.00) PRDX1TERT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020253814-A1 TRIPTERINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2020-12-24 — — WO disclosed
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